bryanherger / xdrawchemLinks
XDrawChem is a two-dimensional molecule drawing program.
☆39Updated 4 years ago
Alternatives and similar repositories for xdrawchem
Users that are interested in xdrawchem are comparing it to the libraries listed below
Sorting:
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆29Updated 7 months ago
- A script for importing molecular geometries into Blender☆36Updated 3 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- Source code for HOLE program.☆34Updated 10 months ago
- energetic sorting of conformer rotamer ensembles☆10Updated 2 years ago
- a python package for the interfacial analysis of molecular simulations☆87Updated last week
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆42Updated 6 years ago
- Chemxls can recursively analyze directories and mine data from some of the most common computational chemistry input and output files. Th…☆19Updated 4 years ago
- python simulation interface for molecular modeling☆92Updated 2 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆79Updated 9 months ago
- Flexible storage of chemical topology for molecular simulation☆62Updated this week
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆28Updated 3 weeks ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- LiveCoMS GROMACS Tutorials Paper☆118Updated 5 years ago
- Draw molecules with plotly!☆47Updated 2 months ago
- JupyterLab extension for py3Dmol☆20Updated 3 years ago
- Physical validation of molecular simulations☆56Updated 2 months ago
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆111Updated 2 weeks ago
- Catalog of Open Source Molecular Modeling Projects☆101Updated 4 months ago
- Enable cheminformatics and quantum chemistry☆74Updated last year
- Tinker-GPU: Next Generation of Tinker with GPU Support☆51Updated this week
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆32Updated last week
- Q6 Repository -- EVB, FEP and LIE simulator.☆31Updated last year
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆55Updated last week
- Automatic MARTINI parametrization of small organic molecules☆66Updated 3 weeks ago
- IUPAC SMILES+ Specification☆37Updated last year
- ARC - Automatic Rate Calculator☆46Updated this week
- Python Library for Automating Molecular Simulations☆80Updated last week
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago